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1ASY
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BU of 1asy by Molmil
CLASS II AMINOACYL TRANSFER RNA SYNTHETASES: CRYSTAL STRUCTURE OF YEAST ASPARTYL-TRNA SYNTHETASE COMPLEXED WITH TRNA ASP
分子名称: ASPARTYL-tRNA SYNTHETASE, T-RNA (75-MER)
著者Ruff, M, Cavarelli, J, Rees, B, Krishnaswamy, S, Thierry, J.C, Moras, D.
登録日1995-01-19
公開日1995-05-08
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Class II aminoacyl transfer RNA synthetases: crystal structure of yeast aspartyl-tRNA synthetase complexed with tRNA(Asp).
Science, 252, 1991
7BB9
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BU of 7bb9 by Molmil
Crystal structure of Lugdulysin E242Q Y315F mutant
分子名称: CALCIUM ION, Lugdulysin E242Q Y315F, ZINC ION
著者Ruff, M, Prevost, G, Prola, K, Levy, N.
登録日2020-12-17
公開日2022-07-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Crystal structure of Lugdulysin E242Q Y315F mutant
To Be Published
7BB8
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BU of 7bb8 by Molmil
Crystal structure of Lugdulysin, a Staphylococcus lugdunensis M30 zinc metallopeptidase
分子名称: ACETATE ION, CACODYLATE ION, CALCIUM ION, ...
著者Ruff, M, Prevost, G, Prola, K, Levy, N.
登録日2020-12-17
公開日2022-07-13
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.506 Å)
主引用文献Crystal structure of Staphylococcus lugdunensis protease, Lugdulysin
To Be Published
6G9P
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BU of 6g9p by Molmil
Structural basis for the inhibition of E. coli PBP2
分子名称: Peptidoglycan D,D-transpeptidase MrdA
著者Ruff, M, Levy, N.
登録日2018-04-11
公開日2019-05-22
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.101 Å)
主引用文献Structural Basis for E. coli Penicillin Binding Protein (PBP) 2 Inhibition, a Platform for Drug Design.
J.Med.Chem., 62, 2019
6T6E
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BU of 6t6e by Molmil
Crystal Structure of the C-terminal domain of the HIV-1 Integrase (PNL4-3)
分子名称: NICKEL (II) ION, Pol protein
著者Ruff, M, Negroni, M.
登録日2019-10-18
公開日2020-07-22
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.302 Å)
主引用文献NKNK: a New Essential Motif in the C-Terminal Domain of HIV-1 Group M Integrases.
J.Virol., 94, 2020
6T6J
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BU of 6t6j by Molmil
Crystal Structure of the C-terminal domain of the HIV-1 Integrase (subtype A2, mutant N254K, K340Q)
分子名称: NICKEL (II) ION, Pol protein
著者Ruff, M, Negroni, M.
登録日2019-10-18
公開日2020-07-22
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.003 Å)
主引用文献NKNK: a New Essential Motif in the C-Terminal Domain of HIV-1 Group M Integrases.
J.Virol., 94, 2020
6T6I
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BU of 6t6i by Molmil
Crystal Structure of the C-terminal domain of the HIV-1 Integrase (subtype A2)
分子名称: NICKEL (II) ION, Pol protein
著者Ruff, M, Negroni, M.
登録日2019-10-18
公開日2020-07-22
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.203 Å)
主引用文献NKNK: a New Essential Motif in the C-Terminal Domain of HIV-1 Group M Integrases.
J.Virol., 94, 2020
1QKT
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BU of 1qkt by Molmil
MUTANT ESTROGEN NUCLEAR RECEPTOR LIGAND BINDING DOMAIN COMPLEXED WITH ESTRADIOL
分子名称: ESTRADIOL, ESTRADIOL RECEPTOR
著者Ruff, M, Gangloff, M, Eiler, S, Duclaud, S, Wurtz, J.M, Moras, D.
登録日1999-08-05
公開日2000-08-18
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal Structure of a Mutant Heralpha Ligand- Binding Domain Reveals Key Structural Features for the Mechanism of Partial Agonism
J.Biol.Chem., 276, 2001
1QKU
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BU of 1qku by Molmil
WILD TYPE ESTROGEN NUCLEAR RECEPTOR LIGAND BINDING DOMAIN COMPLEXED WITH ESTRADIOL
分子名称: ESTRADIOL, ESTRADIOL RECEPTOR
著者Ruff, M, Gangloff, M, Eiler, S, Duclaud, S, Wurtz, J.M, Moras, D.
登録日1999-08-05
公開日2000-08-18
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Crystal structure of a mutant hERalpha ligand-binding domain reveals key structural features for the mechanism of partial agonism.
J. Biol. Chem., 276, 2001
6G9S
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BU of 6g9s by Molmil
Structural basis for the inhibition of E. coli PBP2
分子名称: (3~{R},6~{S})-6-(aminomethyl)-4-(1,3-oxazol-5-yl)-3-(sulfooxyamino)-3,6-dihydro-2~{H}-pyridine-1-carboxylic acid, Peptidoglycan D,D-transpeptidase MrdA
著者Ruff, M, Levy, N.
登録日2018-04-11
公開日2019-05-22
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.001 Å)
主引用文献Structural Basis for E. coli Penicillin Binding Protein (PBP) 2 Inhibition, a Platform for Drug Design.
J.Med.Chem., 62, 2019
6G9F
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BU of 6g9f by Molmil
Structural basis for the inhibition of E. coli PBP2
分子名称: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Peptidoglycan D,D-transpeptidase MrdA
著者Ruff, M, Levy, N.
登録日2018-04-10
公開日2019-05-22
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Structural Basis for E. coli Penicillin Binding Protein (PBP) 2 Inhibition, a Platform for Drug Design.
J.Med.Chem., 62, 2019
4LH4
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BU of 4lh4 by Molmil
Dual inhibition of HIV-1 replication by Integrase-LEDGF allosteric inhibitors is predominant at post-integration stage during virus production rather than at integration
分子名称: Integrase, MAGNESIUM ION
著者Ruff, M, Levy, N, Eiler, S.
登録日2013-06-30
公開日2013-12-25
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Dual inhibition of HIV-1 replication by integrase-LEDGF allosteric inhibitors is predominant at the post-integration stage.
Retrovirology, 10, 2013
4LH5
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BU of 4lh5 by Molmil
Dual inhibition of HIV-1 replication by Integrase-LEDGF allosteric inhibitors is predominant at post-integration stage during virus production rather than at integration
分子名称: (2S)-tert-butoxy[4-(3,4-dihydro-2H-chromen-6-yl)-2-methylquinolin-3-yl]ethanoic acid, Integrase, MAGNESIUM ION
著者Ruff, M, Levy, N, Eiler, S.
登録日2013-06-30
公開日2013-12-25
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献Dual inhibition of HIV-1 replication by integrase-LEDGF allosteric inhibitors is predominant at the post-integration stage.
Retrovirology, 10, 2013
8BV2
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BU of 8bv2 by Molmil
Biological and structural analysis of new potent Integrase-LEDGF allosteric HIV-1 inhibitors
分子名称: (2S)-2-[3-cyclopropyl-2-(3,4-dihydro-2H-chromen-6-yl)-6-methyl-phenyl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid, Integrase, MAGNESIUM ION, ...
著者Ruff, M, Benarous, R.
登録日2022-12-01
公開日2023-06-07
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Biological and Structural Analyses of New Potent Allosteric Inhibitors of HIV-1 Integrase.
Antimicrob.Agents Chemother., 67, 2023
5OI2
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BU of 5oi2 by Molmil
Dissociation of biochemical and antiretroviral activities of Integrase-LEDGF Allosteric Inhibitors revealed by resistance of A125 polymorphic HIV-1
分子名称: (2~{S})-2-[4-(4,4-dimethylcyclohexen-1-yl)-2-methyl-5-pyridin-4-yl-thiophen-3-yl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid, Integrase, MAGNESIUM ION, ...
著者Ruff, M, Benarous, R.
登録日2017-07-18
公開日2018-03-07
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure-function analyses unravel distinct effects of allosteric inhibitors of HIV-1 integrase on viral maturation and integration.
J. Biol. Chem., 293, 2018
5OI5
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BU of 5oi5 by Molmil
Dissociation of biochemical and antiretroviral activities of Integrase-LEDGF Allosteric Inhibitors revealed by resistance of A125 polymorphic HIV-1
分子名称: (2~{S})-2-[4-(4,4-dimethylcyclohexen-1-yl)-2-methyl-5-pyridin-2-yl-thiophen-3-yl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid, Integrase, MAGNESIUM ION
著者Ruff, M, Benarous, R.
登録日2017-07-18
公開日2018-03-07
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structure-function analyses unravel distinct effects of allosteric inhibitors of HIV-1 integrase on viral maturation and integration.
J. Biol. Chem., 293, 2018
5OI3
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BU of 5oi3 by Molmil
Dissociation of biochemical and antiretroviral activities of Integrase-LEDGF Allosteric Inhibitors revealed by resistance of A125 polymorphic HIV-1
分子名称: Integrase, MAGNESIUM ION
著者Ruff, M, Benarous, R.
登録日2017-07-18
公開日2018-03-07
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure-function analyses unravel distinct effects of allosteric inhibitors of HIV-1 integrase on viral maturation and integration.
J. Biol. Chem., 293, 2018
5OIA
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BU of 5oia by Molmil
Dissociation of biochemical and antiretroviral activities of Integrase-LEDGF Allosteric Inhibitors revealed by resistance of A125 polymorphic HIV-1
分子名称: (2~{S})-2-[4-(4,4-dimethylcyclohexen-1-yl)-2-methyl-5-pyridin-2-yl-thiophen-3-yl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid, MAGNESIUM ION, Pol protein, ...
著者Ruff, M, Benarous, R.
登録日2017-07-18
公開日2018-03-07
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure-function analyses unravel distinct effects of allosteric inhibitors of HIV-1 integrase on viral maturation and integration.
J. Biol. Chem., 293, 2018
5OI8
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BU of 5oi8 by Molmil
Dissociation of biochemical and antiretroviral activities of Integrase-LEDGF Allosteric Inhibitors revealed by resistance of A125 polymorphic HIV-1
分子名称: (2~{S})-2-[4-(4,4-dimethylcyclohexen-1-yl)-2-methyl-5-pyridin-4-yl-thiophen-3-yl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid, MAGNESIUM ION, Pol protein, ...
著者Ruff, M, Benarous, R.
登録日2017-07-18
公開日2018-03-07
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Structure-function analyses unravel distinct effects of allosteric inhibitors of HIV-1 integrase on viral maturation and integration.
J. Biol. Chem., 293, 2018
6OR0
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BU of 6or0 by Molmil
Crystal structure of Insulin from Non-merohedrally twinned crystals
分子名称: Insulin chain A, Insulin chain B
著者Sevvana, M, Ruf, M, Uson, I, Sheldrick, G.M, Herbst-Irmer, R.
登録日2019-04-29
公開日2019-12-11
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Non-merohedral twinning: from minerals to proteins.
Acta Crystallogr D Struct Biol, 75, 2019
6OQZ
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BU of 6oqz by Molmil
Crystal structure of Glucose Isomerase from Non-merohedrally twinned crystals
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, MAGNESIUM ION, MANGANESE (II) ION, ...
著者Sevvana, M, Ruf, M, Uson, I, Sheldrick, G.M, Herbst-Irmer, R.
登録日2019-04-29
公開日2019-12-11
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Non-merohedral twinning: from minerals to proteins.
Acta Crystallogr D Struct Biol, 75, 2019
7PIE
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BU of 7pie by Molmil
Protein kinase A catalytic subunit in complex with PKI5-24 and EN068
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-azanyl-5-[3-[(2R)-morpholin-2-yl]phenyl]benzenecarbonitrile, cAMP-dependent protein kinase catalytic subunit alpha, ...
著者Glinca, S, Mueller, J.M, Ruf, M, Merkl, S.
登録日2021-08-19
公開日2022-09-21
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.427 Å)
主引用文献Magnet for the Needle in Haystack: "Crystal Structure First" Fragment Hits Unlock Active Chemical Matter Using Targeted Exploration of Vast Chemical Spaces.
J.Med.Chem., 65, 2022
7PIG
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BU of 7pig by Molmil
Protein kinase A catalytic subunit in complex with PKI5-24 and EN088
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 6-azanyl-2-chloranyl-3-[(Z)-piperidin-3-ylidenemethyl]benzenecarbonitrile, cAMP-dependent protein kinase catalytic subunit alpha, ...
著者Glinca, S, Mueller, J.M, Ruf, M, Merkl, S.
登録日2021-08-19
公開日2022-09-21
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.553 Å)
主引用文献Magnet for the Needle in Haystack: "Crystal Structure First" Fragment Hits Unlock Active Chemical Matter Using Targeted Exploration of Vast Chemical Spaces.
J.Med.Chem., 65, 2022
7PID
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BU of 7pid by Molmil
Protein kinase A catalytic subunit in complex with PKI5-24 and EN060
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-azanyl-5-[3-[(3R)-morpholin-3-yl]phenyl]benzenecarbonitrile, cAMP-dependent protein kinase catalytic subunit alpha, ...
著者Glinca, S, Mueller, J.M, Ruf, M, Merkl, S.
登録日2021-08-19
公開日2022-09-21
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.496 Å)
主引用文献Magnet for the Needle in Haystack: "Crystal Structure First" Fragment Hits Unlock Active Chemical Matter Using Targeted Exploration of Vast Chemical Spaces.
J.Med.Chem., 65, 2022
7PIF
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BU of 7pif by Molmil
Protein kinase A catalytic subunit in complex with PKI5-24 and EN086
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 5-[3-[4-(aminomethyl)oxan-4-yl]phenyl]-2-azanyl-benzenecarbonitrile, CHLORIDE ION, ...
著者Glinca, S, Mueller, J.M, Ruf, M, Merkl, S.
登録日2021-08-19
公開日2022-09-21
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.395 Å)
主引用文献Magnet for the Needle in Haystack: "Crystal Structure First" Fragment Hits Unlock Active Chemical Matter Using Targeted Exploration of Vast Chemical Spaces.
J.Med.Chem., 65, 2022

 

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